SCHEMBL6449893

SCHEMBL6449893

COc1ccc(-c2nc(-c3ncccc3C(F)(F)F)n[nH]2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
GPR55 Q9Y2T6 2/20 0.43
GRK6 P43250 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
PLA2G1B P04054 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
IDH1 O75874 1/20 0.42
NOTUM Q6P988 1/20 0.40
RECQL P46063 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6450017 0.93 GRK6 (0.44) MAPTGPR55GRK6CNR1CNR2
SCHEMBL6450113 0.86 MAPT (0.43) MAPTMEN1KMT2AKDM4ETRPV1
SCHEMBL6456324 0.84 GAA (0.50) MAPTGPR55GRK6CNR1CNR2
SCHEMBL6450529 0.84 GRK6 (0.46) MAPTGRK6MEN1KMT2AALDH1A1
SCHEMBL6450021 0.83 ADORA2A (0.53) ALOX15HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6448731 0.83 NR1H2 (0.56) GRK6TRPV1NR1H2NR1H3
SCHEMBL6451042 0.82 GRK6 (0.40) MAPTGPR55GRK6CNR1CNR2
SCHEMBL6449958 0.82 NPC1 (0.44) MAPTGPR55CNR1CNR2MEN1
SCHEMBL6452049 0.81 IDH1 (0.56) MAPTGRK6MEN1KMT2AGAA
SCHEMBL6448759 0.81 GRK6 (0.48) MAPTGRK6MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MAPT 2805/4885GPR55 1326/4885GRK6 2654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.